Glycoside
GD116577
Name:
StemofolinosideFormula:
C28H37O11NSmiles:
CCC=CC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1CC(OC1OC(CO)C(O)C(O)C1O)N42Aglycone:
CCC=CC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1CC(O)N42Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 563.6 | Num_heavy_atoms: | 40 |
| TPSA: | 156.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD46318
Formula: C22H27O6N
Smiles:
CCC=CC12C3CC4C5C(C)C(=C6OC(=O)C(C)=C6OC)OC5(O3)C1CC(O)N42| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 401.46 | Num_heavy_atoms: | 29 |
| TPSA: | 77.46 | NumAromaticRings: | 0 |
